%chk=000019834.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019834

0 1
 O   -3.624300     -0.6165000     -0.8981000    
 N    2.699100      0.5434000     -0.3151000    
 N    2.547900      -1.075600      -2.075800    
 C    4.138600      0.7474000     -0.4535000    
 C    2.052100       1.359800      0.7089000    
 C    4.910400     -0.2099000      0.4507000    
 C    1.699900       2.739200      0.1589000    
 C    1.974000     -0.3301000      -1.157800    
 C   0.5241000     -0.4587000      -1.042300    
 C    6.425000     -1.4000000E-03  0.3746000    
 C    1.060500       3.648500       1.211300    
 C  -8.3499998E-02  -1.393400     -0.1882000    
 C   -1.495900      -1.459700     -0.1276000    
 C  -0.2496000      0.3982000      -1.825400    
 C   -2.259000     -0.5895000     -0.9230000    
 C   -1.638600      0.3330000      -1.765900    
 C    7.161200     -0.9236000       1.334000    
 C   0.7819000       5.035000      0.6516000    
 C   0.6796000      -2.263700      0.6072000    
 C   -2.103600      -2.394400      0.7265000    
 C   -4.285800      0.5817000     -0.5025000    
 C   -5.592100      0.2172000      0.1883000    
 C   5.9099998E-02  -3.186000       1.450200    
 C   -1.329800      -3.251300       1.509700    
 C   -6.363500       1.458800      0.6263000    
 C   -7.687500       1.091500       1.277100    
 H    4.398400       1.776000     -0.1721000    
 H    4.465300      0.6586000      -1.495200    
 H    2.724600       1.475300       1.568600    
 H    1.158400      0.8729000       1.112300    
 H    4.672100      -1.245500      0.1774000    
 H    4.580700     -8.2500003E-02   1.489400    
 H    1.020200       2.646300     -0.6943000    
 H    2.603800       3.226300     -0.2272000    
 H    6.773500     -0.1865000     -0.6479000    
 H    6.669700       1.038800      0.6189000    
 H    1.725400       3.738700       2.078000    
 H   0.1229000       3.203700       1.564300    
 H   0.2181000       1.117200      -2.493500    
 H   -2.225000       1.000700      -2.391300    
 H    6.857900     -0.7365000       2.369000    
 H    8.241200     -0.7611000       1.261900    
 H    6.959200      -1.973900       1.100700    
 H    1.706800       5.518500      0.3214000    
 H   0.3228000       5.667500       1.417800    
 H   9.7400002E-02   4.983000     -0.2011000    
 H    1.766700      -2.245900      0.5926000    
 H   -3.186400      -2.471200      0.7971000    
 H   -3.659600       1.167100      0.1834000    
 H   -4.486200       1.184400      -1.395700    
 H    3.560600     -0.9517000      -2.076400    
 H   -6.203300     -0.3901000     -0.4912000    
 H   -5.380300     -0.4234000       1.053700    
 H   0.6606000      -3.853300       2.060600    
 H   -1.812100      -3.969500       2.166400    
 H   -5.762100       2.040200       1.334800    
 H   -6.557000       2.102400     -0.2398000    
 H   -8.326700      0.5385000      0.5814000    
 H   -7.529100      0.4718000       2.165400    
 H   -8.222500       1.995500       1.584400    


%chk=000019834-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019834

0 1
O -3.696220 -0.370620 0.247069
N 2.797076 0.730676 0.034711
N 2.243710 -0.148115 -2.174901
C 4.249605 0.741775 -0.245907
C 2.325292 1.593549 1.144885
C 4.895311 -0.659515 -0.121056
C 2.259286 3.096048 0.777272
C 1.916748 0.226043 -0.948010
C 0.463175 0.076395 -0.574606
C 6.390926 -0.658675 -0.509204
C 1.821593 3.970224 1.974464
C 0.009797 -0.751186 0.523345
C -1.410993 -0.882418 0.777537
C -0.486772 0.700938 -1.388116
C -2.345272 -0.188824 -0.077788
C -1.886970 0.586325 -1.149779
C 7.043826 -2.048876 -0.352742
C 1.740395 5.470993 1.621030
C 0.912886 -1.486046 1.364744
C -1.868846 -1.709740 1.852815
C -4.706897 0.279902 -0.608098
C -6.081312 -0.104875 -0.057158
C 0.442159 -2.293211 2.402925
C -0.959890 -2.402776 2.655931
C -7.232095 0.527275 -0.874821
C -8.622640 0.134450 -0.331688
H 4.726910 1.430401 0.474665
H 4.458223 1.161060 -1.255254
H 3.003834 1.450908 2.009675
H 1.326929 1.255282 1.466017
H 4.346419 -1.378578 -0.759315
H 4.781604 -1.011739 0.923850
H 1.546096 3.226270 -0.061246
H 3.249125 3.438398 0.411157
H 6.497951 -0.317798 -1.559680
H 6.936357 0.079009 0.115042
H 2.532056 3.826215 2.814740
H 0.834076 3.621286 2.338946
H -0.133251 1.278902 -2.247670
H -2.582265 1.103822 -1.815827
H 6.983295 -2.400002 0.694516
H 8.110536 -2.029480 -0.641932
H 6.534224 -2.798024 -0.987059
H 2.722627 5.853777 1.285114
H 1.421896 6.074372 2.490876
H 1.015526 5.646241 0.804099
H 1.987151 -1.408221 1.169692
H -2.946115 -1.790000 2.022340
H -4.559195 1.380110 -0.582267
H -4.583672 -0.069401 -1.654622
H 3.244103 0.018082 -2.409739
H -6.175595 -1.207770 -0.064655
H -6.148978 0.217312 0.999801
H 1.151123 -2.850870 3.025389
H -1.319220 -3.036567 3.474180
H -7.130197 1.631762 -0.865561
H -7.148483 0.213596 -1.935426
H -8.763618 -0.962187 -0.360879
H -8.745036 0.460569 0.718159
H -9.432113 0.595751 -0.926079


